SCHEMBL21391523

SCHEMBL21391523

Cc1ccc2c(=O)n(C(C)C)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 3/20 0.39
LMNA P02545 2/20 0.39
NR1I2 O75469 1/20 0.38
EGFR P00533 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGS2 P35354 1/20 0.38
OPRD1 P41143 1/20 0.38
PDE4D Q08499 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2A6 P11509 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20495377 0.82 BRD4 (0.41) MEN1KMT2ACYP1A2NR1I2EGFR
SCHEMBL25405013 0.81 PRKCI (0.40) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL1500297 0.81 HTR2A (0.39) LMNAHTR2AHTR2CALDH1A1KDM4E
SCHEMBL25786723 0.81 RNASEH1 (0.35) LMNAALDH1A1KDM4EHPGDCA9
SCHEMBL28590787 0.81 CYP1A2 (0.43) CYP1A2PTGS2HTR2AHTR2CALDH1A1
SCHEMBL17119893 0.79 CYP1A2 (0.39) MEN1KMT2ACYP1A2LMNANR1I2
SCHEMBL28604404 0.79 KDM4E (0.46) MEN1KMT2ACYP1A2LMNAPTGS2
SCHEMBL7601676 0.77 MEN1 (0.49) MEN1KMT2ACYP1A2LMNAALDH1A1
SCHEMBL1757151 0.77 HTR2A (0.46) KMT2ACYP1A2PDE4DHTR2AHTR2C
SCHEMBL29809554 0.77 MEN1 (0.49) MEN1KMT2ACYP1A2LMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220403377-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. 2022-12-22 US disclosed
US-20200318122-A1 UNNATURAL BASE PAIR COMPOSITIONS AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE 2020-10-08 US disclosed
US-10676740-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2020-06-09 US disclosed
US-20190292591-A1 SYSTEMS AND METHODS FOR DETERMINING GENETIC DATA Genia Technologies, Inc. (US) 2019-09-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220403377-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 MEN1 630/4885KMT2A 1975/4885CYP1A2 3847/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 MEN1 630/4885KMT2A 1975/4885CYP1A2 3847/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.